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Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of…

Machine Learning · Computer Science 2024-03-08 Bo Qiang , Yiran Zhou , Yuheng Ding , Ningfeng Liu , Song Song , Liangren Zhang , Bo Huang , Zhenming Liu

The effectiveness of Multimodal Large Language Models (MLLMs) demonstrates a profound capability in multimodal understanding. However, the simultaneous generation of images with coherent texts is still underdeveloped. Addressing this, we…

Computer Vision and Pattern Recognition · Computer Science 2025-12-10 Kaizhi Zheng , Xuehai He , Xin Eric Wang

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules'…

Computation and Language · Computer Science 2024-01-19 Zhiyuan Liu , Sihang Li , Yanchen Luo , Hao Fei , Yixin Cao , Kenji Kawaguchi , Xiang Wang , Tat-Seng Chua

Multilingual T5 (mT5) pretrains a sequence-to-sequence model on massive monolingual texts, which has shown promising results on many cross-lingual tasks. In this paper, we improve multilingual text-to-text transfer Transformer with…

Computation and Language · Computer Science 2021-09-14 Zewen Chi , Li Dong , Shuming Ma , Shaohan Huang Xian-Ling Mao , Heyan Huang , Furu Wei

Deep learning in computational biochemistry has traditionally focused on molecular graphs neural representations; however, recent advances in language models highlight how much scientific knowledge is encoded in text. To bridge these two…

Machine Learning · Computer Science 2023-07-26 Romain Lacombe , Andrew Gaut , Jeff He , David Lüdeke , Kateryna Pistunova

Molecular representations fundamentally shape how machine learning systems reason about molecular structure and physical properties. Most existing approaches adopt a discrete pipeline: molecules are encoded as sequences, graphs, or point…

We present ViT5, a pretrained Transformer-based encoder-decoder model for the Vietnamese language. With T5-style self-supervised pretraining, ViT5 is trained on a large corpus of high-quality and diverse Vietnamese texts. We benchmark ViT5…

Computation and Language · Computer Science 2022-05-27 Long Phan , Hieu Tran , Hieu Nguyen , Trieu H. Trinh

Fine-tuning large language models for different tasks can be costly and inefficient, and even methods that reduce the number of tuned parameters still require full gradient-based optimization. We propose HyperTuning, a novel approach to…

Computation and Language · Computer Science 2022-11-23 Jason Phang , Yi Mao , Pengcheng He , Weizhu Chen

The ratio of outlier parameters in language pre-training models and vision pre-training models differs significantly, making cross-modality (language and vision) inherently more challenging than cross-domain adaptation. As a result, many…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Yaxin Luo , Zhiqiang Shen

Small-molecule foundation models are typically pretrained on standalone molecular data, unlike vision and language models that often benefit from cross-modal or relational supervision. Protein-ligand co-folding provides a molecular analogue…

Biomolecules · Quantitative Biology 2026-05-25 Hyosoon Jang , Hyunjin Seo , Honghui Kim , Seonghyun Park , Taewon Kim , Yunhui Jang , Sungsoo Ahn

Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often…

Machine Learning · Computer Science 2023-09-26 Cameron Diao , Kaixiong Zhou , Zirui Liu , Xiao Huang , Xia Hu

Neural machine translation (NMT) methods developed for natural language processing have been shown to be highly successful in automating translation from one natural language to another. Recently, these NMT methods have been adapted to the…

Computation and Language · Computer Science 2023-05-24 Dharma KC , Clayton T. Morrison

Pre-trained Generative Language models (e.g. PLBART, CodeT5, SPT-Code) for source code yielded strong results on several tasks in the past few years, including code generation and translation. These models have adopted varying pre-training…

Programming Languages · Computer Science 2022-07-07 Saikat Chakraborty , Toufique Ahmed , Yangruibo Ding , Premkumar Devanbu , Baishakhi Ray

Representation learning for text via pretraining a language model on a large corpus has become a standard starting point for building NLP systems. This approach stands in contrast to autoencoders, also trained on raw text, but with the…

Computation and Language · Computer Science 2021-09-14 Ivan Montero , Nikolaos Pappas , Noah A. Smith

Large language models (LLMs) process and predict sequences containing text to answer questions, and address tasks including document summarization, providing recommendations, writing software and solving quantitative problems. We provide a…

Numerical Analysis · Mathematics 2026-02-02 Ricardo Baptista , Andrew Stuart , Son Tran

Previous work on augmenting large multimodal models (LMMs) for text-to-image (T2I) generation has focused on enriching the input space of in-context learning (ICL). This includes providing a few demonstrations and optimizing image…

Computation and Language · Computer Science 2025-01-14 Yongyu Mu , Hengyu Li , Junxin Wang , Xiaoxuan Zhou , Chenglong Wang , Yingfeng Luo , Qiaozhi He , Tong Xiao , Guocheng Chen , Jingbo Zhu

In recent years, a substantial body of work in visually grounded natural language processing has focused on real-life multimodal scenarios such as describing content depicted in images or videos. However, comparatively less attention has…

Computation and Language · Computer Science 2025-08-21 Aditya K Surikuchi , Raquel Fernández , Sandro Pezzelle

We introduce IT5, the first family of encoder-decoder transformer models pretrained specifically on Italian. We document and perform a thorough cleaning procedure for a large Italian corpus and use it to pretrain four IT5 model sizes. We…

Computation and Language · Computer Science 2024-05-21 Gabriele Sarti , Malvina Nissim

Vision-Language Models (VLMs) have achieved impressive performance in cross-modal understanding across textual and visual inputs, yet existing benchmarks predominantly focus on pure-text queries. In real-world scenarios, language also…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Qing'an Liu , Juntong Feng , Yuhao Wang , Xinzhe Han , Yujie Cheng , Yue Zhu , Haiwen Diao , Yunzhi Zhuge , Huchuan Lu

Text representation plays a critical role in tasks like clustering, retrieval, and other downstream applications. With the emergence of large language models (LLMs), there is increasing interest in harnessing their capabilities for this…

Computation and Language · Computer Science 2025-12-25 Yeqin Zhang , Yizheng Zhao , Chen Hu , Binxing Jiao , Daxin Jiang , Ruihang Miao , Cam-Tu Nguyen